1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol

C14H24N2O — CID 115121461

IUPAC1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol
SMILESCC(C)c1ccc(CN(C)CC(O)CN)cc1
InChIInChI=1S/C14H24N2O/c1-11(2)13-6-4-12(5-7-13)9-16(3)10-14(17)8-15/h4-7,11,14,17H,8-10,15H2,1-3H3
InChIKeyABCIZYXGXAMYEV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.56
Rot. Bonds6

About 1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol

1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol (PubChem CID 115121461) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol
PubChem CID115121461
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol
SMILESCC(C)c1ccc(CN(C)CC(O)CN)cc1
InChIInChI=1S/C14H24N2O/c1-11(2)13-6-4-12(5-7-13)9-16(3)10-14(17)8-15/h4-7,11,14,17H,8-10,15H2,1-3H3
InChIKeyABCIZYXGXAMYEV-UHFFFAOYSA-N
XLogP1.56
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[(4-ethylsulfanylphenyl)methyl-methylamino]propan-2-ol
CID 115121529
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728
N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43420040
1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115121708
1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
CID 115121707
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 79086807
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790
1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol
CID 110009104
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115121496
1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561328

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol (CID 115121461) is 1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol is CC(C)c1ccc(CN(C)CC(O)CN)cc1.
What is the InChIKey of 1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol?
The InChIKey is ABCIZYXGXAMYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)13-6-4-12(5-7-13)9-16(3)10-14(17)8-15/h4-7,11,14,17H,8-10,15H2,1-3H3.
What are the key properties of 1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol?
1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 115121461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).